Binding information for 1gz9_ligand_frag_2.mol2(FDBF00638)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gz9_ligand_frag_2.mol2 | 1gz9 | 1 | -6.28 | C1OC[C@@H]([C@@H](C1)O)O | 8 |
Structure and binding mode of 1gz9_ligand_frag_2.mol2(FDBF00638)
Important binding residues for 1gz9_ligand_frag_2.mol2(FDBF00638)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1gz9 | ALA88 | -0.57 | 0.70 | 0.13 | -0.95 | -0.82 |
| 1gz9 | ASP89 | 1.16 | -19.50 | -18.34 | 16.09 | -2.24 |
| 1gz9 | TYR106 | -1.25 | 0.30 | -0.95 | -1.00 | -1.95 |
| 1gz9 | GLY107 | -0.27 | -1.39 | -1.66 | 0.45 | -1.21 |
| 1gz9 | PHE131 | -1.66 | -0.81 | -2.47 | 0.76 | -1.71 |
| 1gz9 | ASN133 | 0.06 | -3.14 | -3.08 | 1.21 | -1.87 |
| 1gz9 | GLY217 | -0.12 | -1.40 | -1.52 | -0.23 | -1.76 |
| 1gz9 | ALA218 | -1.13 | -2.43 | -3.56 | 0.96 | -2.60 |
